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Compile Data Set for Download or QSAR

Found 53 hits Enz. Inhib. hit(s) with all data for entry = 50035236   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50073805
PNG
(3-((4-(4-chlorophenyl)piperazin-1-yl)methyl)H-pyra...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2cnn3ccccc23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-16-4-6-17(7-5-16)22-11-9-21(10-12-22)14-15-13-20-23-8-2-1-3-18(15)23/h1-8,13H,9-12,14H2
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3.10n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]SCH-23390 radioligand from cloned human Dopamine receptor D2 in CHO cells


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50115717
PNG
(1-(4-Ethynyl-1H-pyrrol-2-ylmethyl)-4-phenyl-pipera...)
Show SMILES C#Cc1c[nH]c(CN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C17H19N3/c1-2-15-12-16(18-13-15)14-19-8-10-20(11-9-19)17-6-4-3-5-7-17/h1,3-7,12-13,18H,8-11,14H2
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5.90n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D4 in CHO cells


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50115716
PNG
(1-Phenyl-4-(4-phenyl-1H-pyrrol-2-ylmethyl)-piperaz...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1cc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C21H23N3/c1-3-7-18(8-4-1)19-15-20(22-16-19)17-23-11-13-24(14-12-23)21-9-5-2-6-10-21/h1-10,15-16,22H,11-14,17H2
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12n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D4 in CHO cells


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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16n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D4 in CHO cells


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50403915
PNG
(CHEMBL2113718)
Show SMILES N#Cc1cc(CN2CCN(CC2)c2ccccc2)c[nH]1
Show InChI InChI=1S/C16H18N4/c17-11-15-10-14(12-18-15)13-19-6-8-20(9-7-19)16-4-2-1-3-5-16/h1-5,10,12,18H,6-9,13H2
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18n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D4 in CHO cells


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50115715
PNG
(5-(4-Phenyl-piperazin-1-ylmethyl)-1H-pyrrole-3-car...)
Show SMILES N#Cc1c[nH]c(CN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C16H18N4/c17-11-14-10-15(18-12-14)13-19-6-8-20(9-7-19)16-4-2-1-3-5-16/h1-5,10,12,18H,6-9,13H2
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21n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D4 in CHO cells


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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28n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D2 in CHO cells


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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28n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D2 in CHO cells


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50115718
PNG
(1-Phenyl-4-(4-phenylethynyl-1H-pyrrol-2-ylmethyl)-...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1cc(c[nH]1)C#Cc1ccccc1
Show InChI InChI=1S/C23H23N3/c1-3-7-20(8-4-1)11-12-21-17-22(24-18-21)19-25-13-15-26(16-14-25)23-9-5-2-6-10-23/h1-10,17-18,24H,13-16,19H2
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83n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D4 in CHO cells


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50115719
PNG
(1-Phenyl-4-(1H-pyrrol-2-ylmethyl)-piperazine | CHE...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1ccc[nH]1
Show InChI InChI=1S/C15H19N3/c1-2-6-15(7-3-1)18-11-9-17(10-12-18)13-14-5-4-8-16-14/h1-8,16H,9-13H2
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100n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D4 in CHO cells


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50115716
PNG
(1-Phenyl-4-(4-phenyl-1H-pyrrol-2-ylmethyl)-piperaz...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1cc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C21H23N3/c1-3-7-18(8-4-1)19-15-20(22-16-19)17-23-11-13-24(14-12-23)21-9-5-2-6-10-21/h1-10,15-16,22H,11-14,17H2
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170n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D2 in CHO cells


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50115716
PNG
(1-Phenyl-4-(4-phenyl-1H-pyrrol-2-ylmethyl)-piperaz...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1cc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C21H23N3/c1-3-7-18(8-4-1)19-15-20(22-16-19)17-23-11-13-24(14-12-23)21-9-5-2-6-10-21/h1-10,15-16,22H,11-14,17H2
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230n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]SCH-23390 radioligand from cloned human Dopamine receptor D2 in CHO cells


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50115717
PNG
(1-(4-Ethynyl-1H-pyrrol-2-ylmethyl)-4-phenyl-pipera...)
Show SMILES C#Cc1c[nH]c(CN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C17H19N3/c1-2-15-12-16(18-13-15)14-19-8-10-20(11-9-19)17-6-4-3-5-7-17/h1,3-7,12-13,18H,8-11,14H2
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270n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]8-OH-DPAT radioligand from porcine 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(PIG)
BDBM50115717
PNG
(1-(4-Ethynyl-1H-pyrrol-2-ylmethyl)-4-phenyl-pipera...)
Show SMILES C#Cc1c[nH]c(CN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C17H19N3/c1-2-15-12-16(18-13-15)14-19-8-10-20(11-9-19)17-6-4-3-5-7-17/h1,3-7,12-13,18H,8-11,14H2
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380n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]-Ketanserin radioligand from porcine 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(BOVINE)
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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420n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]SCH-23,390 radioligand from bovine Dopamine receptor D1


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50115715
PNG
(5-(4-Phenyl-piperazin-1-ylmethyl)-1H-pyrrole-3-car...)
Show SMILES N#Cc1c[nH]c(CN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C16H18N4/c17-11-14-10-15(18-12-14)13-19-6-8-20(9-7-19)16-4-2-1-3-5-16/h1-5,10,12,18H,6-9,13H2
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450n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]8-OH-DPAT radioligand from porcine 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50403915
PNG
(CHEMBL2113718)
Show SMILES N#Cc1cc(CN2CCN(CC2)c2ccccc2)c[nH]1
Show InChI InChI=1S/C16H18N4/c17-11-15-10-14(12-18-15)13-19-6-8-20(9-7-19)16-4-2-1-3-5-16/h1-5,10,12,18H,6-9,13H2
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510n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]8-OH-DPAT radioligand from porcine 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50115716
PNG
(1-Phenyl-4-(4-phenyl-1H-pyrrol-2-ylmethyl)-piperaz...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1cc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C21H23N3/c1-3-7-18(8-4-1)19-15-20(22-16-19)17-23-11-13-24(14-12-23)21-9-5-2-6-10-21/h1-10,15-16,22H,11-14,17H2
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540n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D3 in CHO cells


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50115718
PNG
(1-Phenyl-4-(4-phenylethynyl-1H-pyrrol-2-ylmethyl)-...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1cc(c[nH]1)C#Cc1ccccc1
Show InChI InChI=1S/C23H23N3/c1-3-7-20(8-4-1)11-12-21-17-22(24-18-21)19-25-13-15-26(16-14-25)23-9-5-2-6-10-23/h1-10,17-18,24H,13-16,19H2
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550n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D2 in CHO cells


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50115719
PNG
(1-Phenyl-4-(1H-pyrrol-2-ylmethyl)-piperazine | CHE...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1ccc[nH]1
Show InChI InChI=1S/C15H19N3/c1-2-6-15(7-3-1)18-11-9-17(10-12-18)13-14-5-4-8-16-14/h1-8,16H,9-13H2
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570n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D3 in CHO cells


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50115717
PNG
(1-(4-Ethynyl-1H-pyrrol-2-ylmethyl)-4-phenyl-pipera...)
Show SMILES C#Cc1c[nH]c(CN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C17H19N3/c1-2-15-12-16(18-13-15)14-19-8-10-20(11-9-19)17-6-4-3-5-7-17/h1,3-7,12-13,18H,8-11,14H2
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580n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D2 in CHO cells


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(PIG)
BDBM50115715
PNG
(5-(4-Phenyl-piperazin-1-ylmethyl)-1H-pyrrole-3-car...)
Show SMILES N#Cc1c[nH]c(CN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C16H18N4/c17-11-14-10-15(18-12-14)13-19-6-8-20(9-7-19)16-4-2-1-3-5-16/h1-5,10,12,18H,6-9,13H2
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610n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]-Ketanserin radioligand from porcine 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50115718
PNG
(1-Phenyl-4-(4-phenylethynyl-1H-pyrrol-2-ylmethyl)-...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1cc(c[nH]1)C#Cc1ccccc1
Show InChI InChI=1S/C23H23N3/c1-3-7-20(8-4-1)11-12-21-17-22(24-18-21)19-25-13-15-26(16-14-25)23-9-5-2-6-10-23/h1-10,17-18,24H,13-16,19H2
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670n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D3 in CHO cells


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50403915
PNG
(CHEMBL2113718)
Show SMILES N#Cc1cc(CN2CCN(CC2)c2ccccc2)c[nH]1
Show InChI InChI=1S/C16H18N4/c17-11-15-10-14(12-18-15)13-19-6-8-20(9-7-19)16-4-2-1-3-5-16/h1-5,10,12,18H,6-9,13H2
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720n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D3 in CHO cells


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50115718
PNG
(1-Phenyl-4-(4-phenylethynyl-1H-pyrrol-2-ylmethyl)-...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1cc(c[nH]1)C#Cc1ccccc1
Show InChI InChI=1S/C23H23N3/c1-3-7-20(8-4-1)11-12-21-17-22(24-18-21)19-25-13-15-26(16-14-25)23-9-5-2-6-10-23/h1-10,17-18,24H,13-16,19H2
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760n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]SCH-23390 radioligand from cloned human Dopamine receptor D2 in CHO cells


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50115717
PNG
(1-(4-Ethynyl-1H-pyrrol-2-ylmethyl)-4-phenyl-pipera...)
Show SMILES C#Cc1c[nH]c(CN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C17H19N3/c1-2-15-12-16(18-13-15)14-19-8-10-20(11-9-19)17-6-4-3-5-7-17/h1,3-7,12-13,18H,8-11,14H2
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770n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]SCH-23390 radioligand from cloned human Dopamine receptor D2 in CHO cells


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50115716
PNG
(1-Phenyl-4-(4-phenyl-1H-pyrrol-2-ylmethyl)-piperaz...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1cc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C21H23N3/c1-3-7-18(8-4-1)19-15-20(22-16-19)17-23-11-13-24(14-12-23)21-9-5-2-6-10-21/h1-10,15-16,22H,11-14,17H2
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790n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]8-OH-DPAT radioligand from porcine 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50115717
PNG
(1-(4-Ethynyl-1H-pyrrol-2-ylmethyl)-4-phenyl-pipera...)
Show SMILES C#Cc1c[nH]c(CN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C17H19N3/c1-2-15-12-16(18-13-15)14-19-8-10-20(11-9-19)17-6-4-3-5-7-17/h1,3-7,12-13,18H,8-11,14H2
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850n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D3 in CHO cells


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(PIG)
BDBM50403915
PNG
(CHEMBL2113718)
Show SMILES N#Cc1cc(CN2CCN(CC2)c2ccccc2)c[nH]1
Show InChI InChI=1S/C16H18N4/c17-11-15-10-14(12-18-15)13-19-6-8-20(9-7-19)16-4-2-1-3-5-16/h1-5,10,12,18H,6-9,13H2
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850n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]-Ketanserin radioligand from porcine 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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960n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D3 in CHO cells


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(BOVINE)
BDBM50403915
PNG
(CHEMBL2113718)
Show SMILES N#Cc1cc(CN2CCN(CC2)c2ccccc2)c[nH]1
Show InChI InChI=1S/C16H18N4/c17-11-15-10-14(12-18-15)13-19-6-8-20(9-7-19)16-4-2-1-3-5-16/h1-5,10,12,18H,6-9,13H2
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1.20E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]SCH-23,390 radioligand from bovine Dopamine receptor D1


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(PIG)
BDBM50115716
PNG
(1-Phenyl-4-(4-phenyl-1H-pyrrol-2-ylmethyl)-piperaz...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1cc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C21H23N3/c1-3-7-18(8-4-1)19-15-20(22-16-19)17-23-11-13-24(14-12-23)21-9-5-2-6-10-21/h1-10,15-16,22H,11-14,17H2
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1.30E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]-Ketanserin radioligand from porcine 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50115715
PNG
(5-(4-Phenyl-piperazin-1-ylmethyl)-1H-pyrrole-3-car...)
Show SMILES N#Cc1c[nH]c(CN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C16H18N4/c17-11-14-10-15(18-12-14)13-19-6-8-20(9-7-19)16-4-2-1-3-5-16/h1-5,10,12,18H,6-9,13H2
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1.80E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D3 in CHO cells


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(BOVINE)
BDBM50115717
PNG
(1-(4-Ethynyl-1H-pyrrol-2-ylmethyl)-4-phenyl-pipera...)
Show SMILES C#Cc1c[nH]c(CN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C17H19N3/c1-2-15-12-16(18-13-15)14-19-8-10-20(11-9-19)17-6-4-3-5-7-17/h1,3-7,12-13,18H,8-11,14H2
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2.00E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]SCH-23,390 radioligand from bovine Dopamine receptor D1


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(BOVINE)
BDBM50115716
PNG
(1-Phenyl-4-(4-phenyl-1H-pyrrol-2-ylmethyl)-piperaz...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1cc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C21H23N3/c1-3-7-18(8-4-1)19-15-20(22-16-19)17-23-11-13-24(14-12-23)21-9-5-2-6-10-21/h1-10,15-16,22H,11-14,17H2
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2.10E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]SCH-23,390 radioligand from bovine Dopamine receptor D1


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50403915
PNG
(CHEMBL2113718)
Show SMILES N#Cc1cc(CN2CCN(CC2)c2ccccc2)c[nH]1
Show InChI InChI=1S/C16H18N4/c17-11-15-10-14(12-18-15)13-19-6-8-20(9-7-19)16-4-2-1-3-5-16/h1-5,10,12,18H,6-9,13H2
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2.40E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D4 in CHO cells


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(BOVINE)
BDBM50115718
PNG
(1-Phenyl-4-(4-phenylethynyl-1H-pyrrol-2-ylmethyl)-...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1cc(c[nH]1)C#Cc1ccccc1
Show InChI InChI=1S/C23H23N3/c1-3-7-20(8-4-1)11-12-21-17-22(24-18-21)19-25-13-15-26(16-14-25)23-9-5-2-6-10-23/h1-10,17-18,24H,13-16,19H2
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2.70E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]SCH-23,390 radioligand from bovine Dopamine receptor D1


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50115719
PNG
(1-Phenyl-4-(1H-pyrrol-2-ylmethyl)-piperazine | CHE...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1ccc[nH]1
Show InChI InChI=1S/C15H19N3/c1-2-6-15(7-3-1)18-11-9-17(10-12-18)13-14-5-4-8-16-14/h1-8,16H,9-13H2
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3.00E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D2 in CHO cells


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50115719
PNG
(1-Phenyl-4-(1H-pyrrol-2-ylmethyl)-piperazine | CHE...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1ccc[nH]1
Show InChI InChI=1S/C15H19N3/c1-2-6-15(7-3-1)18-11-9-17(10-12-18)13-14-5-4-8-16-14/h1-8,16H,9-13H2
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3.10E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]SCH-23390 radioligand from cloned human Dopamine receptor D2 in CHO cells


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50403915
PNG
(CHEMBL2113718)
Show SMILES N#Cc1cc(CN2CCN(CC2)c2ccccc2)c[nH]1
Show InChI InChI=1S/C16H18N4/c17-11-15-10-14(12-18-15)13-19-6-8-20(9-7-19)16-4-2-1-3-5-16/h1-5,10,12,18H,6-9,13H2
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3.40E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D2 in CHO cells


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50115715
PNG
(5-(4-Phenyl-piperazin-1-ylmethyl)-1H-pyrrole-3-car...)
Show SMILES N#Cc1c[nH]c(CN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C16H18N4/c17-11-14-10-15(18-12-14)13-19-6-8-20(9-7-19)16-4-2-1-3-5-16/h1-5,10,12,18H,6-9,13H2
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3.70E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]SCH-23390 radioligand from cloned human Dopamine receptor D2 in CHO cells


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50073805
PNG
(3-((4-(4-chlorophenyl)piperazin-1-yl)methyl)H-pyra...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2cnn3ccccc23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-16-4-6-17(7-5-16)22-11-9-21(10-12-22)14-15-13-20-23-8-2-1-3-18(15)23/h1-8,13H,9-12,14H2
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4.30E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D2 in CHO cells


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50073805
PNG
(3-((4-(4-chlorophenyl)piperazin-1-yl)methyl)H-pyra...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2cnn3ccccc23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-16-4-6-17(7-5-16)22-11-9-21(10-12-22)14-15-13-20-23-8-2-1-3-18(15)23/h1-8,13H,9-12,14H2
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4.30E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]SCH-23390 radioligand from cloned human Dopamine receptor D2 in CHO cells


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(BOVINE)
BDBM50115715
PNG
(5-(4-Phenyl-piperazin-1-ylmethyl)-1H-pyrrole-3-car...)
Show SMILES N#Cc1c[nH]c(CN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C16H18N4/c17-11-14-10-15(18-12-14)13-19-6-8-20(9-7-19)16-4-2-1-3-5-16/h1-5,10,12,18H,6-9,13H2
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4.60E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]SCH-23,390 radioligand from bovine Dopamine receptor D1


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50073805
PNG
(3-((4-(4-chlorophenyl)piperazin-1-yl)methyl)H-pyra...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2cnn3ccccc23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-16-4-6-17(7-5-16)22-11-9-21(10-12-22)14-15-13-20-23-8-2-1-3-18(15)23/h1-8,13H,9-12,14H2
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5.00E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D3 in CHO cells


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(BOVINE)
BDBM50115719
PNG
(1-Phenyl-4-(1H-pyrrol-2-ylmethyl)-piperazine | CHE...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1ccc[nH]1
Show InChI InChI=1S/C15H19N3/c1-2-6-15(7-3-1)18-11-9-17(10-12-18)13-14-5-4-8-16-14/h1-8,16H,9-13H2
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5.40E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]SCH-23,390 radioligand from bovine Dopamine receptor D1


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50115715
PNG
(5-(4-Phenyl-piperazin-1-ylmethyl)-1H-pyrrole-3-car...)
Show SMILES N#Cc1c[nH]c(CN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C16H18N4/c17-11-14-10-15(18-12-14)13-19-6-8-20(9-7-19)16-4-2-1-3-5-16/h1-5,10,12,18H,6-9,13H2
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8.00E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D2 in CHO cells


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(BOVINE)
BDBM50073805
PNG
(3-((4-(4-chlorophenyl)piperazin-1-yl)methyl)H-pyra...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2cnn3ccccc23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-16-4-6-17(7-5-16)22-11-9-21(10-12-22)14-15-13-20-23-8-2-1-3-18(15)23/h1-8,13H,9-12,14H2
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1.20E+4n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]SCH-23,390 radioligand from bovine Dopamine receptor D1


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50115716
PNG
(1-Phenyl-4-(4-phenyl-1H-pyrrol-2-ylmethyl)-piperaz...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1cc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C21H23N3/c1-3-7-18(8-4-1)19-15-20(22-16-19)17-23-11-13-24(14-12-23)21-9-5-2-6-10-21/h1-10,15-16,22H,11-14,17H2
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n/an/an/an/a 6.80n/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Effective concentration of compound required against human Dopamine D4.2 receptor


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50115717
PNG
(1-(4-Ethynyl-1H-pyrrol-2-ylmethyl)-4-phenyl-pipera...)
Show SMILES C#Cc1c[nH]c(CN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C17H19N3/c1-2-15-12-16(18-13-15)14-19-8-10-20(11-9-19)17-6-4-3-5-7-17/h1,3-7,12-13,18H,8-11,14H2
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n/an/an/an/a 1.90n/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Effective concentration of compound required against human Dopamine D4.2 receptor


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
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